SCHEMBL9891684

SCHEMBL9891684

CC(=O)c1cc(OC(C)C)cc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.51
PDE4D Q08499 3/20 0.46
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
CHEK2 O96017 1/20 0.44
P2RX3 P56373 2/20 0.44
P2RX2 Q9UBL9 2/20 0.44
ALDH1A1 P00352 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
USP30 Q70CQ3 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12594149 0.94 USP30 (0.47) GPR119PDE4DPDE4BCHEK2P2RX3
SCHEMBL1107610 0.91 GPR119 (0.51) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL1107619 0.89 GPR119 (0.49) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL1107637 0.85 USP30 (0.49) GPR119PDE4DPDE4BCHEK2P2RX3
SCHEMBL23465889 0.83 GPR119 (0.63) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL1107528 0.83 USP30 (0.46) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL3345205 0.80 GPR119 (0.64) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL18918020 0.80 GPR119 (0.57) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL21607022 0.78 GPR119 (0.47) GPR119PDE4DCHEK2P2RX3P2RX2
SCHEMBL1140554 0.78 KDM4E (0.48) GPR119ALDH1A1HRH3NPC1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 US disclosed
US-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 US disclosed
US-7910747-B2 Phosphonate and phosphinate pyrazolylamide glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, MPO, GCK GPR119 19/4885PDE4D 1606/4885PDE4A 1377/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 GPR119 14/4885PDE4D 1824/4885PDE4A 1590/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.